| SpectraBase Compound ID | 1ApomCJ8DoU |
|---|---|
| InChI | InChI=1S/C15H26/c1-2-3-4-5-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,2-11H2,1H3/t12-,13+,14-,15+ |
| InChIKey | CVGQRWVZZMXSHI-NMWPEEMBSA-N |
| Mol Weight | 206.37 g/mol |
| Molecular Formula | C15H26 |
| Exact Mass | 206.203451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdsQFQiJfW6 |
|---|---|
| Name | 1-N-Pentyladamantane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.203450837 u |
| Formula | C15H26 |
| InChI | InChI=1S/C15H26/c1-2-3-4-5-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,2-11H2,1H3/t12-,13+,14-,15+ |
| InChIKey | CVGQRWVZZMXSHI-NMWPEEMBSA-N |
| Molecular Weight | 206.373 g/mol |
| SMILES | C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(CCCCC)C3)[H])[H])[H] |